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CAS 75914-62-4 6-AMINO-1-CYCLOPROPYLPYRIMIDINE-2,4(1H,3H)-DIONE molecular structure lightbox
CAS RN: 75914-62-4

6-AMINO-1-CYCLOPROPYLPYRIMIDINE-2,4(1H,3H)-DIONE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251020 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS75914-62-4
  • Purity/Analytical Methods: >99.0%
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75914-62-4 / 6-amino-1-cyclopropylpyrimidine-2,4-dione

Standard CAS: 75914-62-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75914-62-4
Multi CAS
Yes
Molecular Formula
C7H9N3O2
Molecular Weight
167.170000
Exact Mass
167.069477
InChI
InChI=1S/C7H9N3O2/c8-5-3-6(11)9-7(12)10(5)4-1-2-4/h3-4H,1-2,8H2,(H,9,11,12)
InChIKey
XXNAZVMHAGMLRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
44.01
TPSA
80.88

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.48
XLogP3
-0.7
Consensus LogP
-0.58
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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